MMsINC Database Search


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MMsINC code: MMs01628374

Type: Neutral
Formula: C₂₀H₂₄FNO₄

SMILES:

Fc1ccccc1OCC(=O)Nc1cc(OCCC)c(OCCC)cc1

InChI:

InChI=1/C20H24FNO4/c1-3-11-24-18-10-9-15(13-19(18)25-12-4-2)22-20(23)14-26-17-8-6-5-7-16(17)21/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.927 kcal/mol

Physical Properties
Molecular Weight: 361.413 g/mol	logS: -4.88539	SlogP: 4.4208	Reactive groups: 0

Topological Properties
Globularity: 0.0184189	Sterimol/B1: 1.98172	Sterimol/B2: 2.79375	Sterimol/B3: 3.00854
Sterimol/B4: 11.6823	Sterimol/L: 19.7455

Surface and Volume Properties
Accessible surface: 692.201	Positive charged surface: 457.869	Negative charged surface: 234.332	Volume: 350.5
Hydrophobic surface: 583.068	Hydrophilic surface: 109.133

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.